SCHEMBL25236265

SCHEMBL25236265

COc1cc(C=O)ccc1OCc1ccc(Cl)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPT P10636 2/20 1.00
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
POLB P06746 1/20 0.67
PLK1 P53350 1/20 0.61
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
FDPS P14324 1/20 0.57
NLRP3 Q96P20 1/20 0.56
TACR2 P21452 1/20 0.56
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL413085 0.84 TACR2 (0.78) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL856386 0.82 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL15452397 0.81 NPC1 (0.73) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL14554263 0.80 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL2699064 0.80 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL12517074 0.80 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL1224584 0.80 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL856264 0.80 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL7784719 0.79 PDCD1 (0.74) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL1353565 0.79 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203006-A1 VANILLIN DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 UPPTHERA (KR) 2023-06-29 US disclosed
US-20230203006-A1 VANILLIN DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 UPPTHERA (KR) 2023-06-29 US disclosed
US-20230203006-A1 VANILLIN DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 UPPTHERA (KR) 2023-06-29 US disclosed
CN-109651365-B 3-methylpyrido [1,2-a ] pyrimidone derivative containing 1- ((4-substituted benzyl) oxy) and application thereof 贵州大学 2021-11-16 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230203006-A1 VANILLIN DERIVATIVE COMPOUNDS INDUCING SELECTIVE DEGRADATION OF PLK1 PLK1, NEDD4, BUB1 ALDH1A1 2773/4885MEN1 2994/4885KMT2A 820/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.